化工社化工社 化学情報印刷レポート · 研究参考用
HCID 175706作成日：2026年11月3日
Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo[2.2.2]octane (1:?)
Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo2.2.2octane
https://huagongshe.com/ja/chemical/175706
識別子と物理属性
| CAS No. | 97558-87-7 |
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| 分子式 | C14H28N2O2 |
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| 平均分子量 | 256.38 g/mol |
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| 単同位体質量 | 256.21507814 g/mol |
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| SMILES | C1CN2CCN1CC2.CCCCC(CC)C(=O)O |
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| InChIKey | ODKVLQSZENFTOH-UHFFFAOYSA-N |
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| PubChem CID | 175706 |
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| DTXSID | DTXSID10913839 |
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化学・物理的性質
| 極性表面積 | 43.8 |
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| 水素結合供与体数 | 1 |
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| 水素結合受容体数 | 4 |
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| 回転可能結合数 | 5 |
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| 重原子数 | 18 |
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| 形式電荷 | 0 |
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| 複雑度 | 161 |
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| EPAの化学物質情報 | Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo[2.2.2]octane (97558-87-7) |
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安全性と法規制
| 規制情報 | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo2.2.2octane: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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| TSCA 収載状態 | TSCA listed |
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![Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo[2.2.2]octane (1:?) の分子構造式](/img/chemical/175706.png)